Methanone, (2,3-dimethylphenyl)[1-(triphenylmethyl)-1H-imidazol-4-yl]-

Base Information

• Chemical Name: Methanone, (2,3-dimethylphenyl)[1-(triphenylmethyl)-1H-imidazol-4-yl]-
• CAS No.: 176721-02-1
• Molecular Formula: C31H26N2O
• Molecular Weight: 442.56
• Mol file: 176721-02-1.mol

Synonyms:Methanone, (2,3-dimethylphenyl)[1-(triphenylmethyl)-1H-imidazol-4-yl]-;(2,3-dimethylphenyl)(1-trityl-1h-imidazol-4-yl)methanone;SCHEMBL12510626;MFCD16251366;SY316525;AM20080945;S11074;A881503;(2,3-Dimethylphenyl)(1-trityl-4-imidazolyl)methanone

Chemical Property of Methanone, (2,3-dimethylphenyl)[1-(triphenylmethyl)-1H-imidazol-4-yl]-

Chemical Property:

• PSA: 34.89000
• Density: 1.09
• LogP: 6.57110
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 442.204513457
• Heavy Atom Count: 34
• Complexity: 613

Purity/Quality:

98%min ^*data from raw suppliers

(2,3-Dimethylphenyl)[1-(trityl)-1H-imidazol-4-yl]methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(=O)C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C
• Uses: (2,3-Dimethylphenyl)[1-(trityl)-1H-imidazol-4-yl]methanone is used in the synthetic preparation of dexmedetomidine from medetomidine intermediate.

Technology Process of Methanone, (2,3-dimethylphenyl)[1-(triphenylmethyl)-1H-imidazol-4-yl]-

There total 8 articles about Methanone, (2,3-dimethylphenyl)[1-(triphenylmethyl)-1H-imidazol-4-yl]- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2,3-dimethylbromobenzene (576-23-8) + morpholine[1-(triphenylmethyl)-1H-imidazol-4-yl]methanone → 4-<(2,3-dimethylphenyl)carbonyl>-1-(triphenylmethyl)imidazole (176721-02-1)

Guidance literature:

2,3-dimethylbromobenzene; With iodine; magnesium; In tetrahydrofuran; at 65 - 70 ℃; for 1h;

morpholine[1-(triphenylmethyl)-1H-imidazol-4-yl]methanone; In tetrahydrofuran; at 0 - 40 ℃; for 1h;

Reference yield: 90.3%

4-<(2,3-dimethylphenyl)hydroxymethyl>-1-(triphenylmethyl)imidazole (176721-01-0) → 4-<(2,3-dimethylphenyl)carbonyl>-1-(triphenylmethyl)imidazole (176721-02-1)

Guidance literature:

With manganese(IV) oxide; In 1,4-dioxane; for 5h; Heating;

DOI:10.1080/00397919608003527

Reference yield:

2,3-dimethylbromobenzene (576-23-8) + C25H23N3O2 → 4-<(2,3-dimethylphenyl)carbonyl>-1-(triphenylmethyl)imidazole (176721-02-1)

Guidance literature:

2,3-dimethylbromobenzene; With magnesium; In tetrahydrofuran; for 2h; Reflux;

C₂₅H₂₃N₃O₂; In tetrahydrofuran; at -5 - 25 ℃; for 12h;

upstream raw materials:

4-<(2,3-dimethylphenyl)hydroxymethyl>-1-(triphenylmethyl)imidazole

2,3-dimethylbromobenzene

(1-tritylimidazol-4-yl)carboxaldehyde

trityl chloride

Downstream raw materials:

4-<1-(2,3-dimethylphenyl)-1-hydroxyethyl>-1-(triphenylmethyl)imidazole

(S)-dexmedetomidine-L-(+)-tartrate

(+/-)-4(5)-<1-(2,3-Dimethylphenyl)ethyl-1H-imidazole>

1-(4-imidazolyl)-1-(2,3-dimethylphenyl)ethylene

Refernces

• 1、 -. "Preparation method of dexmedetomidine hydrochloride and its intermediate". Paragraph 0162; 0164. . Retrieved 2018/07/15.
• 2、 Kaboudin, Babak,Haghighat, Hamideh,Aieni, Samira,Behrouzi, Leila,Kazemi, Foad,Kato, Jun-ya,Aoyama, Hiroshi,Yokomatsu, Tsutomu. "A novel and facile route for the synthesis of medetomidine as the α2-adrenoceptor agonist". . p. 1735 - 1739. Retrieved 2017/06/27.